carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)

C52H44N4O4P2Pt+2 — CID 58665332

IUPACcarbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)
SMILESO=c1c2ccccc2c(=O)n2n1C(c1ccccc1)[PH+](c1ccccc1[PH+]1C(c3ccccc3)n3c(=O)c4ccccc4c(=O)n3[C@@H]1c1ccccc1)[C@H]2c1ccccc1.[CH3-].[CH3-].[Pt+2]
InChIInChI=1S/C50H36N4O4P2.2CH3.Pt/c55-43-37-27-13-14-28-38(37)44(56)52-48(34-21-7-2-8-22-34)59(47(51(43)52)33-19-5-1-6-20-33)41-31-17-18-32-42(41)60-49(35-23-9-3-10-24-35)53-45(57)39-29-15-16-30-40(39)46(58)54(53)50(60)36-25-11-4-12-26-36;;;/h1-32,47-50H;2*1H3;/q;2*-1;+2/p+2/t47-,48?,49-,50?,59?,60?;;;/m0.../s1
InChIKeyYXZIITCIPJEQTP-YWFBWBJUSA-P
MW1045.97 g/mol
LogP8.83
Rot. Bonds6

About carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)

carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+) (PubChem CID 58665332) has the molecular formula C52H44N4O4P2Pt+2 and a molecular weight of 1045.97 g/mol. Its IUPAC name is carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+).

Molecular Properties

Compound Namecarbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)
PubChem CID58665332
Molecular FormulaC52H44N4O4P2Pt+2
Molecular Weight1045.97 g/mol
Exact Mass1045.25
IUPAC Namecarbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)
SMILESO=c1c2ccccc2c(=O)n2n1C(c1ccccc1)[PH+](c1ccccc1[PH+]1C(c3ccccc3)n3c(=O)c4ccccc4c(=O)n3[C@@H]1c1ccccc1)[C@H]2c1ccccc1.[CH3-].[CH3-].[Pt+2]
InChIInChI=1S/C50H36N4O4P2.2CH3.Pt/c55-43-37-27-13-14-28-38(37)44(56)52-48(34-21-7-2-8-22-34)59(47(51(43)52)33-19-5-1-6-20-33)41-31-17-18-32-42(41)60-49(35-23-9-3-10-24-35)53-45(57)39-29-15-16-30-40(39)46(58)54(53)50(60)36-25-11-4-12-26-36;;;/h1-32,47-50H;2*1H3;/q;2*-1;+2/p+2/t47-,48?,49-,50?,59?,60?;;;/m0.../s1
InChIKeyYXZIITCIPJEQTP-YWFBWBJUSA-P
XLogP8.83
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.97
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)?
The IUPAC name of carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+) (CID 58665332) is carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+).
What is the SMILES notation for carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)?
The canonical SMILES for carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+) is O=c1c2ccccc2c(=O)n2n1C(c1ccccc1)[PH+](c1ccccc1[PH+]1C(c3ccccc3)n3c(=O)c4ccccc4c(=O)n3[C@@H]1c1ccccc1)[C@H]2c1ccccc1.[CH3-].[CH3-].[Pt+2].
What is the InChIKey of carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)?
The InChIKey is YXZIITCIPJEQTP-YWFBWBJUSA-P. The full InChI is InChI=1S/C50H36N4O4P2.2CH3.Pt/c55-43-37-27-13-14-28-38(37)44(56)52-48(34-21-7-2-8-22-34)59(47(51(43)52)33-19-5-1-6-20-33)41-31-17-18-32-42(41)60-49(35-23-9-3-10-24-35)53-45(57)39-29-15-16-30-40(39)46(58)54(53)50(60)36-25-11-4-12-26-36;;;/h1-32,47-50H;2*1H3;/q;2*-1;+2/p+2/t47-,48?,49-,50?,59?,60?;;;/m0.../s1.
What are the key properties of carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+)?
carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+) has a molecular weight of 1045.97 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3S)-2-[2-[(3S)-5,10-dioxo-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-diphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;platinum(2+) is sourced from PubChem (CID 58665332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).